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Graph Neural Networks (GNNs) are widely applied to graph learning problems such as node classification. When scaling up the underlying graphs of GNNs to a larger size, we are forced to either train on the complete graph and keep the full…

Machine Learning · Computer Science 2024-06-25 Mucong Ding , Tahseen Rabbani , Bang An , Evan Z Wang , Furong Huang

Graph neural networks (GNNs) have achieved strong performance in various applications. In the real world, network data is usually formed in a streaming fashion. The distributions of patterns that refer to neighborhood information of nodes…

Machine Learning · Computer Science 2020-12-07 Junshan Wang , Guojie Song , Yi Wu , Liang Wang

Traditional Graph Self-Supervised Learning (GSSL) struggles to capture complex structural properties well. This limitation stems from two main factors: (1) the inadequacy of conventional Graph Neural Networks (GNNs) in representing…

Machine Learning · Computer Science 2025-02-25 Asiri Wijesinghe , Hao Zhu , Piotr Koniusz

This thesis presents a local-to-global perspective on graph neural networks (GNN), the leading architecture to process graph-structured data. After categorizing GNN into local Message Passing Neural Networks (MPNN) and global Graph…

Machine Learning · Computer Science 2023-06-21 Chen Cai

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive…

Machine Learning · Computer Science 2023-05-25 Francesco Di Giovanni , Lorenzo Giusti , Federico Barbero , Giulia Luise , Pietro Lio' , Michael Bronstein

With recent advances in sensing technologies, a myriad of spatio-temporal data has been generated and recorded in smart cities. Forecasting the evolution patterns of spatio-temporal data is an important yet demanding aspect of urban…

Machine Learning · Computer Science 2023-11-27 Guangyin Jin , Yuxuan Liang , Yuchen Fang , Zezhi Shao , Jincai Huang , Junbo Zhang , Yu Zheng

Graph neural networks (GNNs) have shown remarkable performance on homophilic graph data while being far less impressive when handling non-homophilic graph data due to the inherent low-pass filtering property of GNNs. In general, since…

Machine Learning · Computer Science 2023-10-27 Shuai Zheng , Zhenfeng Zhu , Zhizhe Liu , Youru Li , Yao Zhao

Space-time graph neural networks (ST-GNNs) are recently developed architectures that learn efficient graph representations of time-varying data. ST-GNNs are particularly useful in multi-agent systems, due to their stability properties and…

Machine Learning · Computer Science 2022-10-31 Samar Hadou , Charilaos Kanatsoulis , Alejandro Ribeiro

Spectral Graph Neural Networks (GNNs) have achieved tremendous success in graph machine learning, with polynomial filters applied for graph convolutions, where all nodes share the identical filter weights to mine their local contexts.…

Machine Learning · Computer Science 2024-05-24 Jingwei Guo , Kaizhu Huang , Xinping Yi , Rui Zhang

Graph Neural Networks (GNNs) revolutionize machine learning for graph-structured data, effectively capturing complex relationships. They disseminate information through interconnected nodes, but long-range interactions face challenges known…

Artificial Intelligence · Computer Science 2025-03-18 Singh Akansha

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Graph neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as…

Machine Learning · Computer Science 2022-04-11 Manh Tuan Do , Noseong Park , Kijung Shin

Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching…

Machine Learning · Computer Science 2025-01-09 Ziang Chen , Jialin Liu , Xiaohan Chen , Xinshang Wang , Wotao Yin

Graph Neural Networks (GNNs) are powerful and flexible neural networks that use the naturally sparse connectivity information of the data. GNNs represent this connectivity as sparse matrices, which have lower arithmetic intensity and thus…

Machine Learning · Computer Science 2020-09-04 Alok Tripathy , Katherine Yelick , Aydin Buluc

Graph Neural Networks (GNNs) that are based on the message passing (MP) paradigm generally exchange information between 1-hop neighbors to build node representations at each layer. In principle, such networks are not able to capture…

Machine Learning · Computer Science 2023-11-29 Vijay Prakash Dwivedi , Ladislav Rampášek , Mikhail Galkin , Ali Parviz , Guy Wolf , Anh Tuan Luu , Dominique Beaini

Effective node representation lies at the heart of Graph Neural Networks (GNNs), as it directly impacts their ability to perform downstream tasks such as node classification and link prediction. Most existing GNNs, particularly message…

Machine Learning · Computer Science 2025-11-26 Md Joshem Uddin , Astrit Tola , Varin Sikand , Cuneyt Gurcan Akcora , Baris Coskunuzer

Graph Neural Networks are powerful models for learning from graph-structured data, yet their effectiveness is often limited by two critical challenges: over-squashing, where information from distant nodes is excessively compressed, and…

Machine Learning · Computer Science 2026-05-05 Hugo Attali , Nathalie Pernelle , Davide Buscaldi , Fragkiskos D. Malliaros

Graph Neural Networks are powerful models for learning from graph-structured data, yet their effectiveness is often limited by two critical challenges: over-squashing, where information from distant nodes is excessively compressed, and…

Machine Learning · Computer Science 2026-05-04 Hugo Attali , Davide Buscaldi , Nathalie Pernelle , Fragkiskos D. Malliaros

Spectral Graph Neural Networks (SGNNs) have achieved remarkable performance in tasks such as node classification due to their ability to learn flexible filters. Typically, these filters are learned under the supervision of downstream tasks,…

Machine Learning · Computer Science 2025-08-06 Kangkang Lu , Yanhua Yu , Zhiyong Huang , Tat-Seng Chua

Graph Neural Networks (GNNs) leverage the graph structure to transmit information between nodes, typically through the message-passing mechanism. While these models have found a wide variety of applications, they are known to suffer from…

Machine Learning · Computer Science 2025-10-23 Hugh Blayney , Álvaro Arroyo , Xiaowen Dong , Michael M. Bronstein